Tert-butyl 4-(6-chloro-5-cyano-3-fluoropyridin-2-yl)piperazine-1-carboxylate | 1011297-68-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Tert-butyl 4-(6-chloro-5-cyano-3-fluoropyridin-2-yl)piperazine-1-carboxylate
• CAS: 1011297-68-9
• 化学式: C₁₅H₁₈ClFN₄O₂
• 分子量: 340.785
• InChiKey: BXYQJVDMYQUCSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  69.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-(6-chloro-5-cyano-3-fluoropyridin-2-yl)piperazine-1-carboxylate 在 一水合肼 作用下， 以 乙二醇甲醚 为溶剂， 反应 6.0h， 生成 tert-butyl 4-(3-amino-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  Novel heterocycle-substituted pyrimidines as inhibitors of NF-κB transcription regulation related to TNF-α cytokine release

  摘要：

  Novel heterocyclic ring-substituted pyrimidines have been designed as inhibitors of glycogen synthase kinase-3 beta (GSK-3P) from the modification of known inhibitors. Several potent inhibitors exhibiting nanomolar activities were discovered against GSK-3 beta kinase as well as in an NF-kappa B reporter gene assay. Based on the results from in vitro TNF-alpha release inhibition and in vivo endotoxima, these inhibitors are expected to be useful candidates for treatment of inflammation-related diseases. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.064
• 作为产物：
  描述：

  3-氰基-2,6-二氯-5-氟吡啶 、 N-Boc-哌嗪 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 Tert-butyl 4-(6-chloro-5-cyano-3-fluoropyridin-2-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  Novel heterocycle-substituted pyrimidines as inhibitors of NF-κB transcription regulation related to TNF-α cytokine release

  摘要：

  Novel heterocyclic ring-substituted pyrimidines have been designed as inhibitors of glycogen synthase kinase-3 beta (GSK-3P) from the modification of known inhibitors. Several potent inhibitors exhibiting nanomolar activities were discovered against GSK-3 beta kinase as well as in an NF-kappa B reporter gene assay. Based on the results from in vitro TNF-alpha release inhibition and in vivo endotoxima, these inhibitors are expected to be useful candidates for treatment of inflammation-related diseases. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.064